2-[methyl-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]butanedioate

Systemtic Name: 2-[methyl-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]butanedioate Openeye Name: 2-[methyl-(4-oxido-4-oxo-3-sulfonato-butanoyl)amino]butanedioate CAS Name: 2-[methyl-(4-oxido-1,4-dioxo-3-sulfonatobutyl)amino]butanedioate IUPAC Name: 2-[methyl-(4-oxido-4-oxo-3-sulfonatobutanoyl)amino]butanedioate Traditional Name: 2-[(4-keto-4-oxido-3-sulfonato-butanoyl)-methyl-amino]succinate Formula: C9H9NO10S-4 MolecularWeight: 323.23346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CN(C(CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C9H13NO10S/c1-10(4(8(14)15)2-7(12)13)6(11)3-5(9(16)17)21(18,19)20/h4-5H,2-3H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19,20)/p-4